| 1-甲基咔唑的结构参数及其热稳定性 |
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| 引用本文： | 陈传平,包建平,朱翠山.1-甲基咔唑的结构参数及其热稳定性[J].地质科技情报,2006,25(2):57-59. |
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| 作者姓名： | 陈传平 包建平 朱翠山 |
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| 作者单位： | 长江大学地球化学系,湖北,荆州,434100 |
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| 摘 要： | 利用1-甲基咔唑的分子结构参数,计算了吡咯环氮上氢原子与1-甲基间的距离,计算结果小于氢原子和1-甲基的范德华半径之和,说明氢原子和1-甲基之间存在空间位阻,这一作用迫使键角张大,或是发生扭转,使原子或基团离开芳香环平面,表明咔唑环上1-或8-甲基在化学热力学上是不稳定的,而在咔唑环可能的甲基化中,1-或8-甲基化反应速率较快,推测有更多的产物生成.
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| 关 键 词： | 1-甲基咔唑 分子结构 热稳定性 成熟度 成因 |
| 文章编号： | 1000-7849(2006)02-0057-03 |
| 收稿时间： | 2005-01-15 |
| 修稿时间： | 2005年1月15日 |
Molecular Structural Parameters and Thermal Stability of 1-Methylcarbazole |
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| CHEN Chuan-ping,BAO Jian-ping,ZHU Cui-shan.Molecular Structural Parameters and Thermal Stability of 1-Methylcarbazole[J].Geological Science and Technology Information,2006,25(2):57-59. |
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| Authors: | CHEN Chuan-ping BAO Jian-ping ZHU Cui-shan |
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| Institution: | Geochemistry Department, Yangtze University, Jingzhou Hubei 434100, China |
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| Abstract: | The distance between hydrogen atom and 1-methyl radical on pyrrole in 1-methylcarbazole is calculated to be shorter than the sum of their van der Vaals' radii.The result suggests that there is a steric hinderance between hydrogen atom and 1-methyl radical.This effect will stretch the bond angle or cause the atom and radical to lean away from carbazole ring.So 1-(or 8-) methyl radical on carbazole is unstable in themodynamics.Moreover,the faster rate of possible methylation on 1-(or 8-) side may suggest the production of more 1-(or 8-) substitutes. |
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| Keywords: | 1-methylcarbazole molecular structure thermal stability maturity origination |
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